SCHEMBL17483574

SCHEMBL17483574

C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.82
HPGD P15428 2/20 0.82
POLB P06746 2/20 0.82
MAPK1 P28482 2/20 0.82
KMT2A Q03164 2/20 0.82
NPSR1 Q6W5P4 2/20 0.82
NPC1 O15118 2/20 0.82
RAB9A P51151 2/20 0.82
MEN1 O00255 1/20 0.82
GMNN O75496 1/20 0.82
ALDH1A1 P00352 1/20 0.82
LMNA P02545 1/20 0.82
GLA P06280 1/20 0.82
GAA P10253 1/20 0.82
APEX1 P27695 1/20 0.82
BLM P54132 1/20 0.82
PMP22 Q01453 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
ATP2A1 O14983 1/20 0.82
MTOR P42345 1/20 0.82

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17381105 0.96 MAPT (0.81) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL82423 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL21981207 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL21981209 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL16491487 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL18762159 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL5690389 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL18762158 0.90 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL20897006 0.90 MAPT (0.99) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL18080775 0.90 MAPT (0.93) MAPTHPGDPOLBMAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845283-B2 Methods of producing cancer targeting compounds INSPYR THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9822064-B2 Methods of producing cancer treating compounds INSPYR THERAPEUTICS, INC. (US) 2017-11-21 US disclosed
US-20160347706-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-12-01 US disclosed
US-20160347730-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-12-01 US disclosed
US-9446141-B2 Methods of producing cancer compounds GENSPERA, INC. (US) 2016-09-20 US disclosed
US-20160030589-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160347706-A1 Methods of Producing Cancer Compounds HCCS, MYC, SDHA MAPT 4605/4885HPGD 119/4885POLB 486/4885
US-20160347730-A1 Methods of Producing Cancer Compounds HCCS, MYC, SDHA MAPT 4605/4885HPGD 119/4885POLB 486/4885
US-20160030589-A1 Methods of Producing Cancer Compounds NQO1, CYP21A2, CYP11B2 MAPT 4540/4885HPGD 20/4885POLB 1544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.